Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLE---DYTLNRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGIEDLHRTQNDEEPVLYPYNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSIL-ARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR 2R00 Chain:A ((2-333)) -QQFNVAIFGATGAVGETMLEVLQEREFPVDELFLLASERSEGKTYRFNGKTVRVQNVEEFDWSQVHIALFSAGGELSAKWAPIAAEAGVVVIDNTSHFRYDYDIPLVVPEVNPEAIAEFRNRNIIANPNCSTIQMLVALKPIYDAVGIERINVTTYQSVSGAGKAGID-----------------------PQIDQFMDNGYTKEEMKMVWETQKIFNDPSIMVNPTCVRVPVFYGHAEAVHVETRAPIDAEQVMDMLEQTDGIEL---FRGADFPTQVRDAGGKDHVLVGRVRNDISHHSGINLWVVADNVRKGAATNAVQIAELLVR-------

General information: TITO was launched using: RESULT: Template: 2R00.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1675 -102592 -61.25 -343.12 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -61.25 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_2R00.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R00-query.scw PDB file : Tito_Scwrl_2R00.pdb: